SCHEMBL27398305

SCHEMBL27398305

Cc1ccc(O)c(C)c1-c1c(N)c(C(N)=O)nc2nccnc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 19/20 0.45
▸ WEE1 P30291 3/20 0.38
▸ MYT1 Q01538 2/20 0.38
▸ EPHB3 P54753 1/20 0.36
▸ CYP2C9 P11712 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CDK1 P06493 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ LMNA P02545 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30905521 1.00 PKMYT1 (0.45) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL30905573 0.83 PKMYT1 (0.42) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL27397363 0.83 PKMYT1 (0.38) PKMYT1WEE1EPHB3
SCHEMBL30905608 0.83 PKMYT1 (0.38) PKMYT1WEE1EPHB3
SCHEMBL27397362 0.83 PKMYT1 (0.42) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL27387818 0.77 PKMYT1 (0.43) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL30971151 0.77 PKMYT1 (0.43) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL31344847 0.77 PKMYT1 (0.39) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL30905518 0.75 PKMYT1 (0.53) PKMYT1WEE1MYT1EPHB3CYP2C9
SCHEMBL30905594 0.75 PKMYT1 (0.40) PKMYT1WEE1MYT1EPHB3CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
WO-2024112853-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-05-30 — — WO disclosed
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